[1-(cyclohexylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone

C18H32N2O — CID 883902

IUPAC[1-(cyclohexylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(CC2CCCCC2)CC1)N1CCCCC1
InChIInChI=1S/C18H32N2O/c21-18(20-11-5-2-6-12-20)17-9-13-19(14-10-17)15-16-7-3-1-4-8-16/h16-17H,1-15H2
InChIKeyOZTGSFZBDAQIMQ-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.29
Rot. Bonds3

About [1-(cyclohexylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone

[1-(cyclohexylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 883902) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is [1-(cyclohexylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(cyclohexylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID883902
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name[1-(cyclohexylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(CC2CCCCC2)CC1)N1CCCCC1
InChIInChI=1S/C18H32N2O/c21-18(20-11-5-2-6-12-20)17-9-13-19(14-10-17)15-16-7-3-1-4-8-16/h16-17H,1-15H2
InChIKeyOZTGSFZBDAQIMQ-UHFFFAOYSA-N
XLogP3.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [1-(cyclohexylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(cyclohexylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone (CID 883902) is [1-(cyclohexylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(cyclohexylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(cyclohexylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone is O=C(C1CCN(CC2CCCCC2)CC1)N1CCCCC1.
What is the InChIKey of [1-(cyclohexylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is OZTGSFZBDAQIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c21-18(20-11-5-2-6-12-20)17-9-13-19(14-10-17)15-16-7-3-1-4-8-16/h16-17H,1-15H2.
What are the key properties of [1-(cyclohexylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone?
[1-(cyclohexylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 292.47 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 883902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).